2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline

C13H10F3NO — CID 104831279

IUPAC2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline
SMILESNc1cccc(F)c1OCc1cc(F)ccc1F
InChIInChI=1S/C13H10F3NO/c14-9-4-5-10(15)8(6-9)7-18-13-11(16)2-1-3-12(13)17/h1-6H,7,17H2
InChIKeyOFYDJNZZCHWNSH-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.27
Rot. Bonds3

About 2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline

2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline (PubChem CID 104831279) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline
PubChem CID104831279
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline
SMILESNc1cccc(F)c1OCc1cc(F)ccc1F
InChIInChI=1S/C13H10F3NO/c14-9-4-5-10(15)8(6-9)7-18-13-11(16)2-1-3-12(13)17/h1-6H,7,17H2
InChIKeyOFYDJNZZCHWNSH-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 113458208
2-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611763
2-[(3-chlorophenyl)methoxy]-3-fluoroaniline
CID 104831215
3-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]aniline
CID 102615065
2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene
CID 113220141
3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 63933644
2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline
CID 64768237
3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline
CID 104831438
2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene
CID 60975597
3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde
CID 112611434
3-fluoro-2-(thiophen-2-ylmethoxy)aniline
CID 104831460
2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 112740496

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline?
The IUPAC name of 2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline (CID 104831279) is 2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline?
The canonical SMILES for 2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline is Nc1cccc(F)c1OCc1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline?
The InChIKey is OFYDJNZZCHWNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c14-9-4-5-10(15)8(6-9)7-18-13-11(16)2-1-3-12(13)17/h1-6H,7,17H2.
What are the key properties of 2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline?
2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline has a molecular weight of 253.22 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline is sourced from PubChem (CID 104831279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).